ANTI-INFLAMMATORY, ANTI-CANDIDAL ACTIVITY AND IN-SILICO PREDICTION OF PHARMACOKINETIC PROPERTIES OF NARDOSTACHYS JATAMANSIAbstract
The earlier reports on Nardostachys jatamansi show contain a various class of chemical constituents that have influenced the anti-inflammatory and anti-candidal activities. The present study reports the evaluation of anti-inflammatory and anti-candidal activities of N. jatamansi and also studies pharmacokinetic properties using in-silico model. In ongoing research work, we used individual extracts of dichloromethane, ethyl acetate, methanol, and water were prepared. The anti-inflammatory activity of different solvent extracts was carried out using gelatin zymography through detection of MMP-2 and MMP-9 and on other side anti-candidal activity was carried out using Nitro blue tetrazolium assay (NBT). Bioactivity and pharmacokinetic parameters of all extracts were calculated using the property calculation online toolkit. From the results, it is observed that, among all the tested extracts, ethyl acetate extract was found to be more potent towards phagocytosis (more than 5 MPN) and Candida albicans (41%) at 100 µg/mL while dichloromethane extract possesses profound anti-inflammatory activity towards MMP-2 (90%) and MMP-9 (85%) as compared to standardtetracyline HCl (positive control) followed by other extracts. Desoxo-Narchinol A, Narchinol B, Selinidin/ Jatamansin, Nardosinone and Valerenal were chosen as representative compounds of N. Jatamansi for the prediction of pharmacokinetic parameters, in-silico and bioactivity scores. All the compounds were showed results in line with Lipinski Rule of 5 and best acted as enzyme inhibitors with a score greater than 0.00. In light of the above result findings, N. jatamansi was found to possess anti-inflammatory and anti-candidal activities. This suggests extensive investigation of chemical components present in the active extracts to establish a structure-based activity relationship.
B. B. Rachotimath, M. S. Gavimath, V. K. Uppar, A. I. Basarikatti and B. Padmashali *
Department of Chemistry *, School of Basic Sciences, Rani Channamma University, Belagavi, Karnataka, India.
26 September 2020
07 April 2021
28 June 2021
01 September 2021